5-Hexenoic acid

• CAS: 1577-22-6
• Catalog Number: ACM1577226
• Category: Other Products
• Molecular Weight: 114.144g/mol
• Molecular Formula: C6H10O2
• Synonyms: J-640339; DTXSID30166305; XUDOZULIAWNMIU-UHFFFAOYSA-N; MCULE-6043142578; SCHEMBL60128; AC1L25M8; FT-0620448; UNII-5HL6OL352W; MFCD00046558; SC-93956
• IUPAC Name: hex-5-enoic acid
• SMILES: C=CCCCC(=O)O
• InChI: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8)
• InChI Key: XUDOZULIAWNMIU-UHFFFAOYSA-N
• Melting Point: -37.0°C
• Complexity: 86.5
• Covalently-Bonded Unit Count: 1
• Exact Mass: 114.068g/mol
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 8
• Monoisotopic Mass: 114.068g/mol
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 37.3A^2
• UNII: 5HL6OL352W

Custom Q&A

What is the molecular formula of 5-Hexenoic acid according to the reference?

The molecular formula of 5-Hexenoic acid is C6H10O2.

When was 5-Hexenoic acid created according to the reference?

5-Hexenoic acid was created on 2005-03-27 according to the reference.

What is the molecular weight of 5-Hexenoic acid according to the reference?

The molecular weight of 5-Hexenoic acid is 114.14 g/mol.

What is the IUPAC name of 5-Hexenoic acid according to the reference?

The IUPAC name of 5-Hexenoic acid is hex-5-enoic acid.

What is the InChIKey of 5-Hexenoic acid according to the reference?

The InChIKey of 5-Hexenoic acid is XUDOZULIAWNMIU-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Hexenoic acid according to the reference?

The canonical SMILES of 5-Hexenoic acid is C=CCCCC(=O)O.

What is the European Community (EC) Number of 5-Hexenoic acid according to the reference?

The European Community (EC) Number of 5-Hexenoic acid is 628-738-4.

What is the XLogP3-AA value of 5-Hexenoic acid according to the reference?

The XLogP3-AA value of 5-Hexenoic acid is 1.2.

How many hydrogen bond donor counts does 5-Hexenoic acid have according to the reference?

5-Hexenoic acid has 1 hydrogen bond donor count.

What is the topological polar surface area of 5-Hexenoic acid according to the reference?

The topological polar surface area of 5-Hexenoic acid is 37.3 Ų.